(4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C26H29F3N6O2 — CID 146774513

IUPAC(4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(c2ccnc(N[C@@H](C)c3ncn4c3CCc3cc(C(F)(F)F)ccc3-4)n2)C(=O)OC1(C)C
InChIInChI=1S/C26H29F3N6O2/c1-14(2)22-25(4,5)37-24(36)35(22)20-10-11-30-23(33-20)32-15(3)21-19-8-6-16-12-17(26(27,28)29)7-9-18(16)34(19)13-31-21/h7,9-15,22H,6,8H2,1-5H3,(H,30,32,33)/t15-,22-/m0/s1
InChIKeyRSLRQYWIVRQHJO-NYHFZMIOSA-N
MW514.55 g/mol
LogP5.71
Rot. Bonds5

About (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 146774513) has the molecular formula C26H29F3N6O2 and a molecular weight of 514.55 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID146774513
Molecular FormulaC26H29F3N6O2
Molecular Weight514.55 g/mol
Exact Mass514.23
IUPAC Name(4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(c2ccnc(N[C@@H](C)c3ncn4c3CCc3cc(C(F)(F)F)ccc3-4)n2)C(=O)OC1(C)C
InChIInChI=1S/C26H29F3N6O2/c1-14(2)22-25(4,5)37-24(36)35(22)20-10-11-30-23(33-20)32-15(3)21-19-8-6-16-12-17(26(27,28)29)7-9-18(16)34(19)13-31-21/h7,9-15,22H,6,8H2,1-5H3,(H,30,32,33)/t15-,22-/m0/s1
InChIKeyRSLRQYWIVRQHJO-NYHFZMIOSA-N
XLogP5.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 146774513) is (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(c2ccnc(N[C@@H](C)c3ncn4c3CCc3cc(C(F)(F)F)ccc3-4)n2)C(=O)OC1(C)C.
What is the InChIKey of (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RSLRQYWIVRQHJO-NYHFZMIOSA-N. The full InChI is InChI=1S/C26H29F3N6O2/c1-14(2)22-25(4,5)37-24(36)35(22)20-10-11-30-23(33-20)32-15(3)21-19-8-6-16-12-17(26(27,28)29)7-9-18(16)34(19)13-31-21/h7,9-15,22H,6,8H2,1-5H3,(H,30,32,33)/t15-,22-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 514.55 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146774513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).